| Sonrisas canónicas | C1CSC(S1)C(=O)O |
|---|---|
| IUPAC Name | 1,3-dithiolane-2-carboxylic acid |
| InChIKey | DSOVOUOPKYLGID-UHFFFAOYSA-N |
| INCHI | 1S/C4H6O2S2/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6) |
| Peso molecular | 150.200 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Dithiolanes |
| Subclass | 1,3-dithiolanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3-dithiolanes |
| Alternative Parents | Dithioacetals Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,3-dithiolane - Thioacetal - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,3-dithiolanes. These are organic compounds containing a 1,3-dithiolane ring. 1,3-dithiolane moiety is a 5-membered saturated aliphatic ring with three carbon atoms, and two sulfur atoms at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 150.200 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 149.981 Da |
| Monoisotopic Mass | 149.981 Da |
| Topological Polar Surface Area | 87.900 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 98.200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
